2-Methylindoline
Properties
- Molecular formula
- C9H11N
- Molar mass
- 133.19 g/mol
- Exact mass
- 133.0891 Da
- Melting point
- 60–61 °C
- Boiling point
- 115–117 °C
- logP
- 2.04Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed22.4% of notifiers
- H315 Causes skin irritation57.9% of notifiers
- H319 Causes serious eye irritation59.2% of notifiers
- H335 May cause respiratory irritation56.6% of notifiers
- H411 Toxic to aquatic life with long lasting effects11.8% of notifiers
Aggregated from 76 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
6872-06-6SMILES
CC1Cc2ccccc2N1InChIKey
QRWRJDVVXAXGBT-UHFFFAOYSA-NInChI
InChI=1S/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7,10H,6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- 1H-Indole, 2,3-dihydro-2-methyl-
- Indoline, 2-methyl-
- 2,3-Dihydro-2-methyl-1H-indole
- 2-Methyl-2,3-dihydroindole
- 2,3-Dihydro-2-methylindole
- α-Methyldihydroindole
- NSC 65598
- 2-Methyl-2,3-dihydro-1H-indole
- 2-Methyl-1H-indoline
- (±)-2-Methylindoline
Work with 2-Methylindoline
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Methyltetrahydroquinoline1780-19-466 % similar
(±)-Indoline-2-carboxylic acid16851-56-244 % similar
(±)-Indoline-2-carboxylic acid78348-24-044 % similar
(S)-Indoline-2-carboxylic acid79815-20-644 % similar
(R)-(+)-Indoline-2-carboxylic acid98167-06-744 % similar
o-Methoxy-N,α-dimethylphenethylamine hydrochloride5588-10-340 % similar
Meth537-46-239 % similar
10,11-Dihydro-5H-dibenz[b,f]azepine494-19-938 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.